CID 2354

Diminazene

Structural Information

Molecular Formula

C₁₄H₁₅N₇

SMILES

C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)

InChIKey

XNYZHCFCZNMTFY-UHFFFAOYSA-N

Compound name

4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 925
References: 3137
Patents: 281.1389 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.14618	161.3
[M+Na]+	304.12812	165.1
[M-H]-	280.13162	169.9
[M+NH4]+	299.17272	175.2
[M+K]+	320.10206	162.3
[M+H-H2O]+	264.13616	151.4
[M+HCOO]-	326.13710	192.7
[M+CH3COO]-	340.15275	223.1
[M+Na-2H]-	302.11357	167.3
[M]+	281.13835	154.8
[M]-	281.13945	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe